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IMPC-051-03

Supelco

Paraxanthine solution

1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

Empirical Formula (Hill Notation):
C7H8N4O2
CAS Number:
Molecular Weight:
180.16
EC Number:
NACRES:
NA.24

Quality Level

grade

certified reference material

form

liquid

feature

Snap-N-Spike®/Snap-N-Shoot®

packaging

ampule of 1 mL

manufacturer/tradename

Cerilliant®

concentration

1.0 mg/mL in methanol

application(s)

gas chromatography (GC): suitable
liquid chromatography (LC): suitable

Featured Industry

Pharmaceutical (small molecule)

format

single component solution

storage temp.

room temp

SMILES string

CN1C(=O)Nc2ncn(C)c2C1=O

InChI

1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)

InChI key

QUNWUDVFRNGTCO-UHFFFAOYSA-N

General description

Paraxanthine is a major plasma and urinary metabolite of caffeine. This xanthine derivative is, along with caffeine, a central nervous system stimulant. This Snap-N-Spike® reference solution is applicable for caffeine quantitation in clinical toxicology or urine drug testing by LC-MS/MS or GC/MS.

Legal Information

CERILLIANT is a registered trademark of Cerilliant Corporation
Snap-N-Shoot is a registered trademark of Cerilliant Corporation
Snap-N-Spike is a registered trademark of Cerilliant Corporation

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1

Target Organs

Eyes

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

49.5 °F - closed cup

Flash Point(C)

9.7 °C - closed cup

Certificate of Analysis

Certificate of Origin

Kamil Uney et al.
Xenobiotica; the fate of foreign compounds in biological systems, 41(7), 585-592 (2011-04-12)
The aim of this investigation was to determine the pharmacokinetics and demethylation of caffeine (CF) and the metabolite/CF ratios that correlated best with CF clearance, which were used to evaluate hepatic drug-oxidizing capacity of CF after a single intravenous dose...
A A Filimonova et al.
Bulletin of experimental biology and medicine, 150(6), 762-764 (2012-01-12)
Various methods were proposed for phenotyping of patients by activity of cytochrome P450 1A2, each has some advantages and disadvantages. However, no reference parameters were developed for measuring CYP1A2 activity that could be used as a unified standard for phenotyping...
Liqing Wang et al.
Basic & clinical pharmacology & toxicology, 112(4), 257-263 (2012-11-22)
This study was designed to investigate the impact of cytochrome P450 (CYP) 1A2 polymorphisms on theophylline metabolism in a non-smoking healthy male Chinese population. Four polymorphisms CYP1A2 1C (G-3860A), G-3113A, CYP1A2 1F (C-163A) and CYP1A2 1B (C-5347T) were screened in...
Maurice J Arnaud
Handbook of experimental pharmacology, (200)(200), 33-91 (2010-09-23)
Caffeine, theophylline, theobromine, and paraxanthine administered to animals and humans distribute in all body fluids and cross all biological membranes. They do not accumulate in organs or tissues and are extensively metabolized by the liver, with less than 2% of...
Vidya Perera et al.
The Journal of pharmacy and pharmacology, 63(9), 1161-1168 (2011-08-11)
To investigate the utility of metrics of CYP1A2 activity using caffeine as a probe, and saliva and plasma sampling with or without a 24-h caffeine abstinence. This was a cross-over pharmacokinetic study in 30 healthy male subjects who received a...

Articles

HPLC Analysis of Xanthines on Purospher® STAR RP-18 endcapped

Xanthine is a purine base found in most human body tissues and fluids as well as in other organisms. Methylated xanthines (methylxanthines), which include caffeine, paraxanthine, theobromine, and theophylline, commonly used for their effects as mild stiµlants and as bronchodilators, notably in the treatment of asthma symptoms. This application shows the efficient separation of several common xanthines and may be applied their analysis in any number of desired matrices.

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